Found 10 results

Search term: QUIJNHUBAXPXFS (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-{Bis[(~2~H_3_)methyl]amino}-1-(6-bromo-2-methoxy-3-quinolinyl)-2-(1-naphthyl)-1-phenyl-2-butanol | C32H25D6BrN2O2

4-{Bis[(2H3)methyl]amino}-1-(6-bromo-2-methoxy-3-quinolinyl)-2-(1-naphthyl)-1-phenyl-2-butanol

  • Molecular FormulaC32H25D6BrN2O2
  • Average mass561.542 Da
  • Monoisotopic mass560.194519 Da
  • ChemSpider ID58781160
  • Non-standard isotope - Non-standard isotope


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Quinolineethanol, 6-bromo-α-[2-(dimethyl-d3-amino)ethyl]-2-methoxy-α-1-naphthalenyl-β-phenyl- [ACD/Index Name]
4-{Bis[(2H3)methyl]amino}-1-(6-brom-2-methoxy-3-chinolinyl)-2-(1-naphthyl)-1-phenyl-2-butanol [German] [ACD/IUPAC Name]
4-{Bis[(2H3)méthyl]amino}-1-(6-bromo-2-méthoxy-3-quinoléinyl)-2-(1-naphtyl)-1-phényl-2-butanol [French] [ACD/IUPAC Name]
4-{Bis[(2H3)methyl]amino}-1-(6-bromo-2-methoxy-3-quinolinyl)-2-(1-naphthyl)-1-phenyl-2-butanol [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 702.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.0±3.0 kJ/mol
Flash Point: 378.8±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 156.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.59
ACD/LogD (pH 5.5): 3.93
ACD/BCF (pH 5.5): 111.89
ACD/KOC (pH 5.5): 149.16
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 2793.35
ACD/KOC (pH 7.4): 3723.64
Polar Surface Area: 46 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 420.1±3.0 cm3

Click to predict properties on the Chemicalize site






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